CCN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | trip | 1.14Å | 1.29Å | |
| C1 | C2 | sing | 1.47Å | 1.44Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | C2 | 120.8° | 180.0° |
| C1 | C2 | H21 | 109.5° | 109.4° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| C1 | C2 | H23 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H21 | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C2 | H21 | 180.0° | 90.0° |
| N | C1 | C2 | H22 | 60.0° | 90.0° |
| N | C1 | C2 | H23 | 60.0° | 90.0° |
| C1 | C2 | H21 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H23 | 120.0° | 120.0° |
| C1 | C2 | H22 | H23 | 120.0° | 120.0° |
| H21 | C2 | H22 | H23 | 120.0° | 120.0° |
